CID 6602199

51478-21-8

Structural Information

Molecular Formula
C20H29NO
SMILES
C[C@@H]1[C@H]2CC3=C([C@@]1(CCCN2CC=C(C)C)C)C=C(C=C3)O
InChI
InChI=1S/C20H29NO/c1-14(2)8-11-21-10-5-9-20(4)15(3)19(21)12-16-6-7-17(22)13-18(16)20/h6-8,13,15,19,22H,5,9-12H2,1-4H3/t15-,19-,20-/m1/s1
InChIKey
MULQVSKPRKIRMH-CDHQVMDDSA-N
Compound name
(1R,9R,14S)-1,14-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.2249 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 172.5
[M+Na]+ 322.21412 177.7
[M-H]- 298.21762 174.4
[M+NH4]+ 317.25872 190.0
[M+K]+ 338.18806 175.5
[M+H-H2O]+ 282.22216 166.9
[M+HCOO]- 344.22310 183.5
[M+CH3COO]- 358.23875 181.4
[M+Na-2H]- 320.19957 174.6
[M]+ 299.22435 167.6
[M]- 299.22545 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe